A comparative quantum mechanical study of bond separation energies as a measure of cyclic conjugation
- 1 October 1995
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 16 (10) , 1227-1237
- https://doi.org/10.1002/jcc.540161005
Abstract
No abstract availableKeywords
This publication has 28 references indexed in Scilit:
- Aromaticity and Antiaromaticity in Five‐Membered C4H4X Ring Systems: “Classical” and “Magnetic” Concepts May Not Be “Orthogonal”Angewandte Chemie International Edition in English, 1995
- The performance of a family of density functional methodsThe Journal of Chemical Physics, 1993
- An investigation of the performance of a hybrid of Hartree-Fock and density functional theoryInternational Journal of Quantum Chemistry, 1992
- Aromaticity as a quantitative concept. 1. A statistical demonstration of the orthogonality of classical and magnetic aromaticity in five- and six-membered heterocyclesJournal of the American Chemical Society, 1989
- Aromatic Energies of Some Heteroaromatic MoleculesHETEROCYCLES, 1989
- Potentially aromatic metallocyclesJournal of the American Chemical Society, 1988
- Ab Initio Calculation of Resonance Energies. Benzene and CyclobutadieneJournal of the American Chemical Society, 1983
- MethyleneimineThe Journal of Physical Chemistry, 1978
- The electronic structure of conjugated molecules. Non-empirical calculations for the benzenium, pyridinium, pyrylium, and thiopyrylium cations and a comparison of the last with phosphorinJournal of the Chemical Society, Perkin Transactions 2, 1975
- Note on an Approximation Treatment for Many-Electron SystemsPhysical Review B, 1934